5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole

C14H11ClN4S — CID 6483372

IUPAC5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2ccccc2)cc1
InChIInChI=1S/C14H11ClN4S/c15-12-6-8-13(9-7-12)19-14(16-17-18-19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyITFUIVYMBSRCGP-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.61
Rot. Bonds4

About 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole

5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole (PubChem CID 6483372) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole
PubChem CID6483372
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole
SMILESClc1ccc(-n2nnnc2SCc2ccccc2)cc1
InChIInChI=1S/C14H11ClN4S/c15-12-6-8-13(9-7-12)19-14(16-17-18-19)20-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyITFUIVYMBSRCGP-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylsulfanyl)-N-(4-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 9818391
N-(4-chlorophenyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9840663
5-(benzylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
CID 684006
1-(3-chlorophenyl)-5-(prop-2-ynylthio)-1H-1,2,3,4-tetraazole
CID 2731962
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
1-phenyl-5-phenylmethanesulfonyl-1H-1,2,3,4-tetrazole
CID 6618807
4-[1-(3-Chloro-phenyl)-1H-tetrazol-5-ylsulfanyl]-butyronitrile
CID 592588
3-[(4-chlorobenzyl)sulfanyl]-1-phenyl-1H-1,2,4-triazole
CID 1778827
3-[(2-chlorobenzyl)sulfanyl]-1-phenyl-1H-1,2,4-triazole
CID 1778828
3-chlorobenzyl1-phenyl-1H-1,2,4-triazol-3-ylsulfide
CID 1778831
1-(2-Methylphenyl)-5-(2-methylpropylsulfanyl)tetrazole
CID 2480677

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole?
The IUPAC name of 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole (CID 6483372) is 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole is Clc1ccc(-n2nnnc2SCc2ccccc2)cc1.
What is the InChIKey of 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole?
The InChIKey is ITFUIVYMBSRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-12-6-8-13(9-7-12)19-14(16-17-18-19)20-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole?
5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole has a molecular weight of 302.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-(4-chlorophenyl)tetrazole is sourced from PubChem (CID 6483372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).